The rotationally resolved electronic spectrum of p-cyanophenol

Physical Chemistry Chemical Physics

Volumn 4, Issue 19, 2002, Pages 4634-4639

  Küpper, Jochen ^a   Schmitt, Michael ^a   Kleinermanns, Karl ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

4 CYANOPHENOL; ELEMENT; HYDROXYL GROUP; PHENOL DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; ELECTRON; ELECTRONICS; PARAMETER; PHYSICAL CHEMISTRY; ROTATION; SPECTROSCOPY; SPECTRUM; THEORY;

EID: 0036402503     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b205644e     Document Type: Article

References (32)

1. L. Salem, Electrons in Chemical Reactions, Wiley, New York, 1982.
2. G. Granucci, J. Hynes, P. Millié and T.-H. Tran-Thi, J. Am. Chem. Soc., 2000, 122, 12 243.
3. S. Schulman, W. Vincent and W. Underberg, J. Phys. Chem., 1981, 85, 4068.
4. L. P. Hammett, J. Am. Chem. Soc., 1937, 59, 96.
5. L. P. Hammett, Trans. Faraday Soc., 1938, 34, 156.
6. K. C. Gross and P. G. Seybold, Int. J. Quantum Chem., 2000, 80, 1107.
7. K. C. Gross and P. G. Seybold, Int. J. Quantum Chem., 2001, 85, 569.
8. W. Fateley, G. Carlson and F. Bentley, J. Phys. Chem., 1975, 79, 199.
9. T. Pedersen, N. W. Larsen and L. Nygaard, J. Mol. Struct., 1969, 4, 59.
10. N. W. Larsen, J. Mol. Struct., 1979, 51, 175.
11. S. J. Martinez, J. C. Alfano and D. H. Levy, J. Mol. Spectrosc., 1992, 152, 81.
12. G. Berden, W. L. Meerts, M. Schmitt and K. Kleinermanns, J. Chem. Phys., 1996, 104, 972.
13. C. Ratzer, J. Küpper, D. Spangenberg and M. Schmitt, Chem. Phys., 2002, accepted for publication.
14. U. Dahmen, W. Stahl and H. Dreizler, Ber. Bunsen-Ges. Phys. Chem., 1994, 98, 970.
15. J. Casado, L. Nygaard and G. O. Sørensen, J. Mol. Struct., 1971, 8, 211.
16. R. M. Helm, H.-P. Vogel and H. J. Neusser, Chem. Phys. Lett., 1997, 270, 285.
17. D. R. Borst, T. M. Korter and D. W. Pratt, Chem. Phys. Lett., 2001, 305, 485.
18. Y. I. Binev, J. Mol. Struct., 2001, 535, 93.
19. W. Roth, P. Imhof and K. Kleinermanns, Phys. Chem. Chem. Phys., 2001, 3, 1806.
20. S. Schumm, M. Gerhards and K. Kleinermanns, J. Phys. Chem. A, 2000, 104, 10 648.
21. M. Schmitt, J. Küpper, D. Spangenberg and A. Westphal, Chem. Phys., 2000, 254, 349.
22. M. Okruss, R. Müller and A. Hese, J. Mol. Spectrosc., 1999, 193, 293.
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. Gill, M. W. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
24. R. J. Lipert and S. D. Colson, J. Phys. Chem., 1989, 93, 135.
25. H. D. Bist, J. C. D. Brand and D. R. Williams, J. Mol. Spectrosc., 1966, 21, 76.
26. S. Ishiuchi, H. Shitomi, K. Takazawa and M. Fujii, Chem. Phys. Lett., 1998, 283, 243.
27. J. Callomon, T. Dunn and I. Mills, Philos. Trans. R. Soc. London, Ser. A., 1966, 259, 499.
28. T. Cvitaš, J. Hollas and G. Kirby, Mol. Phys., 1970, 19, 305.
29. J. Christoffersen, J. M. Hollas and G. H. Kirby, Proc. R. Soc. London, Ser. A., 1968, 307, 97.
30. J. Christoffersen, J. M. Hollas and G. H. Kirby, Mol. Phys., 1970, 18, 451.
31. K. Levenberg, Q. Appl. Math., 1944, 2, 164.
32. D. D. Marquardt, J. Soc. Ind. Appl. Math., 1963, 11, 431.